Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 411-490-4 | CAS number: 7027-11-4 ISOPHORONENITRILE, IPN
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1998-12-01 to 1998-12-10
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions: No analytical determination of test substance concentrations. However, the DOC of the stock and test solutions (after 72 hours) was analysed.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Version / remarks:
- 1984
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- 3-cyano-3,5,5-trimethylcyclohexanone
- EC Number:
- 411-490-4
- EC Name:
- 3-cyano-3,5,5-trimethylcyclohexanone
- Cas Number:
- 7027-11-4
- Molecular formula:
- C10H15NO
- IUPAC Name:
- 3-cyano-3,5,5-trimethylcyclohexanone
- Details on test material:
- Test substance: Isophorone nitrile of Degussa AG, batch no. 25.9.98/ANT, purity: 99.8 %
Constituent 1
Sampling and analysis
- Analytical monitoring:
- yes
- Details on sampling:
- - at the start (0 hous) and the end of the study (72 hours)
Test solutions
- Vehicle:
- no
- Details on test solutions:
- STOCK AND TEST SOLUTION AND THEIR PREPARATION
- Dispersion: Crushing of test substance in mortar, weighing into measuring flask, addition of water, ultrasonic treatment (12.5 g/l: 40 min; 1.25 g/l and 2.5 g/l: 20 min; 0.125 g/l: 5 min), stirring for 1-2 hours, filtration (sterile)
- Dilution water: Ultrapure water
- Concentration of stock solution: 12.5 g/l; 1.25 g/l; 0.125 g/l (screening test). 2.5 g/l (main test)
STABILITY OF THE TEST CHEMICAL SOLUTIONS
- 12.5 g/l was above the solubility as indicated by (1) turbidity upon addition of mineral salt solution and (2) TOC analysis
Test organisms
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Details on test organisms:
- TEST ORGANISMS
- Strain: Scenedesmus subspicatus CHODAT (86.81 SAG)
- Source/supplier: Origin: Institute for Plant Sciences, University of Göttingen (Germany); further bred inhouse
- Method of cultivation: SOP S 013 of the Institut Fresenius Group
- Pretreatment: Pre-culture with approx. 100,000 cells/ml in growth medium 3 days in advance
- Initial cell concentration: approx. 60,000 cells/ml
Study design
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 72 h
Test conditions
- Test temperature:
- - Test temperature: 22.6-23.8 °C (mean 23.23 °C)
- pH:
- - pH: Initially adjusted to 8 before adjustment of volume.
- 8.10-8.24 (0 hours); 8.35-10.97 (72 hours) - Nominal and measured concentrations:
- 100; 1000; 10,000 mg/l (screening test, 5 replicates)
125; 250; 500; 1000; 2000 mg/l (main test, 7 replicates) - Details on test conditions:
- GROWTH/TEST MEDIUM CHEMISTRY
Stock solutions in ultrapure water:
(1) 1.5 g NH4Cl/L; 1.2 g MgCl2 x 6 H2O/L; 1.8 g CaCl2 x 2 H2O/L; 1.5 g MgSO4 x 7 H2O/L; 0.16 g KH2PO4/L
(2) 0.08 g FeCl3 x 6 H2O/L; 0.10 g Na2EDTA x 2 H2O/L
(3) 185 mg H3BO3/L; 415 mg MnCl2 x 4 H2O/L; 3 mg ZnCl2/L; 1.5 mg CoCl2 x 6 H2O/L; 0.01 mg CuCl2 x 2 H2O/L; 7 mg Na2MoO4 x 2 H2O/L
(4) 1.0 g NaHCO3 (solid)
880 ml ultrapure water + 100 ml (1) + 10 ml (2) + 10 ml (3) + (4), equilibrated with air, sterilization by ultrafiltration (0.45 µm), further dilution
1:10 for test solutions
TEST SYSTEM
- Exposure vessel type: 50 ml glass cylinders with 50 ml test solution and covered with a plexiglass lid
- Number of replicates: 5-7
- Intensity of irradiation: >= 120 µE/m2s (approx. 8000 lux)
- Photoperiod: Not reported, probably 24 hours/day
- Other relevant factors: Stirring for 15 min/hour
TEST PARAMETER
- Cell density as measured by extinction at 578 nm
CONTROLS
- algae control (no test substance, 7 replicates), sterile control (no algae, 3 replicates per concentration), blank control (no test substance, no algae, 3 replicates) - Reference substance (positive control):
- no
Results and discussion
Effect concentrationsopen allclose all
- Duration:
- 72 h
- Dose descriptor:
- NOEC
- Effect conc.:
- 78 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- cell number
- Duration:
- 72 h
- Dose descriptor:
- EC10
- Effect conc.:
- 105 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- cell number
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 350 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- cell number
- Duration:
- 72 h
- Dose descriptor:
- EC100
- Effect conc.:
- 1 600 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- cell number
- Duration:
- 72 h
- Dose descriptor:
- NOEC
- Effect conc.:
- 110 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Duration:
- 72 h
- Dose descriptor:
- EC10
- Effect conc.:
- 156 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 580 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Duration:
- 72 h
- Dose descriptor:
- EC100
- Effect conc.:
- 3 000 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Details on results:
- According to the DOC measurements (via LiquiTOC, Foll-Heraeus) the test substance recovery in the stock and the test solutions was between 101% and 112%. The inhibition of the biomass production and the growth rate of the algae was calculated according to OECD 201 using MS Excel, version 5.0.
- Results with reference substance (positive control):
- No reference substance was tested
Any other information on results incl. tables
RESULTS
- Nominal/measured concentrations:
Nominal 0 h: TOC => measured 72 h: TOC => measured
------------------------------------------------------
125 mg/l 84.8 => 117 mg/l 95.03 => 131 mg/l
250 mg/l 178.9 => 246 mg/l 182.40 => 251 mg/l
500 mg/l 343.5 => 473 mg/l 368.68 => 507 mg/l
1000 mg/l 716.5 => 986 mg/l 736.43 => 1013 mg/l
2000 mg/l 1444.5 => 1987 mg/l 1465.63 => 2016 mg/l
------------------------------------------------------
- Cell density data:
Concentration 24 hours 48 hours 72 hours EbC ErC
------------------------------------------------------------------
Control scr. 299,000 915,000 2,800,000 0.0 % 0.0 %
100 mg/l 323,000 1,110,000 2,990,000 -12.6 % 0.8 %
1000 mg/l 145,000 187,000 230,000 87.3 % 66.4 %
10000 mg/l --------------- not determined --------------------
Control main 302,000 872,000 2,650,000 0.0 % 0.0 %
125 mg/l 305,000 793,000 2,600,000 4.4 % 2.7 %
250 mg/l 231,000 640,000 1.360,000 40.5 % 20.9 %
500 mg/l 144,000 276,000 426,000 79.9 % 50.1 %
1000 mg/l 131,000 177,000 201,000 89.5 % 70.3 %
2000 mg/l 98,700 123,000 124,000 94.8 % 83.4 %
------------------------------------------------------------------
"Control" refers to algae control.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The EbC50 (72 hours) was determined as 350 mg/L indicating that the test substance poses to significant hazard to algae
- Executive summary:
The growth inhibition of isophorone nitrile on the alga Scenedesmus subspicatus was evaluated in a 72 -h growth inhibition test by Fresenius Institute (1999) according to OECD TG 201. Five concentrations ranging from 125 mg/L to 2000 mg/L (nominal) were tested. The following endpoints were derived:
EbC50 (72 hours): 350 mg/L
ErC50 (72 hours): 580 mg/L
NOEC (72 hours, based on cell numbers): 78 mg/L
The study was assessed as "reliable with restrictions".
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.